N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-methyl-5-methylsulfanyl-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-methyl-5-methylsulfanyl-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-methyl-5-methylsulfanyl-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-methyl-5-(methylthio)benzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-methyl-5-methylsulfanylbenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-methyl-5-(methylthio)benzamide Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)NCC(C)(C)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)NCC(C)(C)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H28N2OS/c1-16-9-10-19(26-4)13-20(16)21(25)23-15-22(2,3)24-12-11-17-7-5-6-8-18(17)14-24/h5-10,13H,11-12,14-15H2,1-4H3,(H,23,25)